4-[2-(3-methoxypropoxy)ethoxymethyl]-1,2,3,6-tetrahydropyridine

C12H23NO3 — CID 103178000

IUPAC4-[2-(3-methoxypropoxy)ethoxymethyl]-1,2,3,6-tetrahydropyridine
SMILESCOCCCOCCOCC1=CCNCC1
InChIInChI=1S/C12H23NO3/c1-14-7-2-8-15-9-10-16-11-12-3-5-13-6-4-12/h3,13H,2,4-11H2,1H3
InChIKeyMIOYLWRNOQXGOH-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.98
Rot. Bonds9

About 4-[2-(3-methoxypropoxy)ethoxymethyl]-1,2,3,6-tetrahydropyridine

4-[2-(3-methoxypropoxy)ethoxymethyl]-1,2,3,6-tetrahydropyridine (PubChem CID 103178000) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[2-(3-methoxypropoxy)ethoxymethyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[2-(3-methoxypropoxy)ethoxymethyl]-1,2,3,6-tetrahydropyridine
PubChem CID103178000
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-[2-(3-methoxypropoxy)ethoxymethyl]-1,2,3,6-tetrahydropyridine
SMILESCOCCCOCCOCC1=CCNCC1
InChIInChI=1S/C12H23NO3/c1-14-7-2-8-15-9-10-16-11-12-3-5-13-6-4-12/h3,13H,2,4-11H2,1H3
InChIKeyMIOYLWRNOQXGOH-UHFFFAOYSA-N
XLogP0.98
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 75481406
4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 14442217
4-(4,4,4-Trifluorobutoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404639
N-[2-(3,6-dihydro-2H-pyran-5-yl)ethyl]-3,3-dimethylbutan-1-amine;molecular hydrogen
CID 143543963
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716253
4-(Propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716602
4-(Pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 102982177
4-(2-Methylpentoxymethyl)-1,2,3,6-tetrahydropyridine
CID 103283983
4-[3-(2-Methoxyethoxy)propoxymethyl]-1,2,3,6-tetrahydropyridine
CID 103402879
4-(1-Ethoxypropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 103488712
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-propan-2-yloxybutan-1-amine
CID 104159004

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxypropoxy)ethoxymethyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[2-(3-methoxypropoxy)ethoxymethyl]-1,2,3,6-tetrahydropyridine (CID 103178000) is 4-[2-(3-methoxypropoxy)ethoxymethyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[2-(3-methoxypropoxy)ethoxymethyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[2-(3-methoxypropoxy)ethoxymethyl]-1,2,3,6-tetrahydropyridine is COCCCOCCOCC1=CCNCC1.
What is the InChIKey of 4-[2-(3-methoxypropoxy)ethoxymethyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is MIOYLWRNOQXGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-14-7-2-8-15-9-10-16-11-12-3-5-13-6-4-12/h3,13H,2,4-11H2,1H3.
What are the key properties of 4-[2-(3-methoxypropoxy)ethoxymethyl]-1,2,3,6-tetrahydropyridine?
4-[2-(3-methoxypropoxy)ethoxymethyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 229.32 g/mol, XLogP of 0.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxypropoxy)ethoxymethyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 103178000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).